2-[[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]-pentan-3-ylamino]ethanol

C12H24N4O2 — CID 106959307

IUPAC2-[[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]-pentan-3-ylamino]ethanol
SMILESCCNCc1nnc(N(CCO)C(CC)CC)o1
InChIInChI=1S/C12H24N4O2/c1-4-10(5-2)16(7-8-17)12-15-14-11(18-12)9-13-6-3/h10,13,17H,4-9H2,1-3H3
InChIKeyFURAWCPMCRJIBE-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.17
Rot. Bonds9

About 2-[[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]-pentan-3-ylamino]ethanol

2-[[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]-pentan-3-ylamino]ethanol (PubChem CID 106959307) has the molecular formula C12H24N4O2 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]-pentan-3-ylamino]ethanol.

Molecular Properties

Compound Name2-[[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]-pentan-3-ylamino]ethanol
PubChem CID106959307
Molecular FormulaC12H24N4O2
Molecular Weight256.35 g/mol
Exact Mass256.19
IUPAC Name2-[[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]-pentan-3-ylamino]ethanol
SMILESCCNCc1nnc(N(CCO)C(CC)CC)o1
InChIInChI=1S/C12H24N4O2/c1-4-10(5-2)16(7-8-17)12-15-14-11(18-12)9-13-6-3/h10,13,17H,4-9H2,1-3H3
InChIKeyFURAWCPMCRJIBE-UHFFFAOYSA-N
XLogP1.17
TPSA74.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[butyl-[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]ethanol
CID 106970325
2-[[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]-propan-2-ylamino]ethanol
CID 106960024
2-[propyl-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]ethanol
CID 106970585
N-butyl-5-(ethylaminomethyl)-N-methyl-1,3,4-oxadiazol-2-amine
CID 106966149
N'-[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 106969906
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 25218857
5-(ethylaminomethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106971319
2-[2-methoxyethyl-[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]ethanol
CID 106964675
2-[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]-ethylamino]ethanol
CID 106969630
3-[[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]-methylamino]-N-methylpropanamide
CID 106967463
5-(ethylaminomethyl)-N-methyl-N-phenyl-1,3,4-oxadiazol-2-amine
CID 106967692
N-cyclopentyl-5-(ethylaminomethyl)-N-(3-methylbutyl)-1,3,4-oxadiazol-2-amine
CID 106963269

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]-pentan-3-ylamino]ethanol?
The IUPAC name of 2-[[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]-pentan-3-ylamino]ethanol (CID 106959307) is 2-[[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]-pentan-3-ylamino]ethanol.
What is the SMILES notation for 2-[[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]-pentan-3-ylamino]ethanol?
The canonical SMILES for 2-[[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]-pentan-3-ylamino]ethanol is CCNCc1nnc(N(CCO)C(CC)CC)o1.
What is the InChIKey of 2-[[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]-pentan-3-ylamino]ethanol?
The InChIKey is FURAWCPMCRJIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O2/c1-4-10(5-2)16(7-8-17)12-15-14-11(18-12)9-13-6-3/h10,13,17H,4-9H2,1-3H3.
What are the key properties of 2-[[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]-pentan-3-ylamino]ethanol?
2-[[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]-pentan-3-ylamino]ethanol has a molecular weight of 256.35 g/mol, XLogP of 1.17, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]-pentan-3-ylamino]ethanol is sourced from PubChem (CID 106959307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).